(NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine

C6H13NO3S — CID 89224821

IUPAC(NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine
SMILESC/C(CCCS(C)(=O)=O)=N/O
InChIInChI=1S/C6H13NO3S/c1-6(7-8)4-3-5-11(2,9)10/h8H,3-5H2,1-2H3/b7-6-
InChIKeySQXADHFKHLDHKH-SREVYHEPSA-N
MW179.24 g/mol
LogP0.66
Rot. Bonds4

About (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine

(NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine (PubChem CID 89224821) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine
PubChem CID89224821
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine
SMILESC/C(CCCS(C)(=O)=O)=N/O
InChIInChI=1S/C6H13NO3S/c1-6(7-8)4-3-5-11(2,9)10/h8H,3-5H2,1-2H3/b7-6-
InChIKeySQXADHFKHLDHKH-SREVYHEPSA-N
XLogP0.66
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine (CID 89224821) is (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine is C/C(CCCS(C)(=O)=O)=N/O.
What is the InChIKey of (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine?
The InChIKey is SQXADHFKHLDHKH-SREVYHEPSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-6(7-8)4-3-5-11(2,9)10/h8H,3-5H2,1-2H3/b7-6-.
What are the key properties of (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine?
(NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine has a molecular weight of 179.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(5-methylsulfonylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 89224821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).